E204-0161 Screening compound: 4-acetyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

E204-0161 Screening compound: 4-acetyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
E204-0161 Screening compound: 4-acetyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E204-0161
4-acetyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E204-0161

Molecular Formula

C17H15F3N2O4S (C17 H15 F3 N2 O4 S)

Compound Name

4-acetyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide

IUPAC name

4-acetyl-N-[4-(trifluoromethyl)phenyl]-34-dihydro-2H-14-benzoxazine-6-sulfonamide

SMILES

CC(N1c(cc(cc2)S(Nc3ccc(C(F)(F)F)cc3)(=O)=O)c2OCC1)=O

InChI

InChI=1S/C17H15F3N2O4S/c1-11(23)22-8-9-26-16-7-6-14(10-15(16)22)27(24,25)21-13-4-2-12(3-5-13)17(18,19)20/h2-7,10,21H,8-9H2,1H3

InChI Key

ZBHSOCPHSJQNFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14845820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.160

Water Solubility, LogSw

-3.56

Polar Surface Area

64.892

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

E204-0161 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with E204-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E204-0161?
Check Price and Availability of E204-0161, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E204-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E204-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E204-0161
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E204-0161 available by request